Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "db662546284a7b7aa8d3ffb8e427a560",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.956,
"b": 57.033,
"c": 115.081,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.770,1.490],
"number_observations": 370228,
"number_observations_unique": 56650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.490],
"number_observations": 25531,
"number_observations_unique": 4112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.704
},
{
"type": "R(meas)",
"value": 0.768
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [28.770,6.660],
"number_observations": 4398,
"number_observations_unique": 735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 72.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}